CID 47002902

[1-(5-nitropyridin-2-yl)piperidin-4-yl]methanol

Structural Information

Molecular Formula
C11H15N3O3
SMILES
C1CN(CCC1CO)C2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O3/c15-8-9-3-5-13(6-4-9)11-2-1-10(7-12-11)14(16)17/h1-2,7,9,15H,3-6,8H2
InChIKey
LJSPBMQDDUPONQ-UHFFFAOYSA-N
Compound name
[1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

237.11134 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.118616 151.5
[M+Na]+ 260.100558 156.1
[M-H]- 236.104064 153.7
[M+NH4]+ 255.145163 164.6
[M+K]+ 276.074498 149.1
[M+H-H2O]+ 220.108600 147.4
[M+HCOO]- 282.109541 169.8
[M+CH3COO]- 296.125191 182.5
[M+Na-2H]- 258.086006 157.9
[M]+ 237.11079142 145.3
[M]- 237.11188858 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe